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Information card for entry 4348484
Preview
| Coordinates | 4348484.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H36 F3 Mn N6 O6 S |
|---|---|
| Calculated formula | C31 H36 F3 Mn N6 O6 S |
| Title of publication | Steric and Electronic Influence on Proton-Coupled Electron-Transfer Reactivity of a Mononuclear Mn(III)-Hydroxo Complex. |
| Authors of publication | Rice, Derek B.; Wijeratne, Gayan B.; Burr, Andrew D.; Parham, Joshua D.; Day, Victor W.; Jackson, Timothy A. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2016 |
| Journal volume | 55 |
| Journal issue | 16 |
| Pages of publication | 8110 - 8120 |
| a | 8.4929 ± 0.0005 Å |
| b | 14.2757 ± 0.0008 Å |
| c | 27.9728 ± 0.0016 Å |
| α | 90° |
| β | 96.229 ± 0.003° |
| γ | 90° |
| Cell volume | 3371.5 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0678 |
| Residual factor for significantly intense reflections | 0.0615 |
| Weighted residual factors for significantly intense reflections | 0.1692 |
| Weighted residual factors for all reflections included in the refinement | 0.1741 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 232991 (current) | 2019-11-23 | cif/ Adding structures of 4348484 via cif-deposit CGI script. |
4348484.cif |
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